4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine

C13H17N3O2 — CID 117370752

IUPAC4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine
SMILESCOCCOc1ccc(-c2cnn(C)c2N)cc1
InChIInChI=1S/C13H17N3O2/c1-16-13(14)12(9-15-16)10-3-5-11(6-4-10)18-8-7-17-2/h3-6,9H,7-8,14H2,1-2H3
InChIKeyYBEBGQIBASUHLU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.69
Rot. Bonds5

About 4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine

4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117370752) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine
PubChem CID117370752
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine
SMILESCOCCOc1ccc(-c2cnn(C)c2N)cc1
InChIInChI=1S/C13H17N3O2/c1-16-13(14)12(9-15-16)10-3-5-11(6-4-10)18-8-7-17-2/h3-6,9H,7-8,14H2,1-2H3
InChIKeyYBEBGQIBASUHLU-UHFFFAOYSA-N
XLogP1.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine (CID 117370752) is 4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine is COCCOc1ccc(-c2cnn(C)c2N)cc1.
What is the InChIKey of 4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is YBEBGQIBASUHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-13(14)12(9-15-16)10-3-5-11(6-4-10)18-8-7-17-2/h3-6,9H,7-8,14H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine?
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117370752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).